Compound Detail
CHEMBL326531
MANZAMINE Enter ChEMBL ID:
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O[C@]12C=C(c3[nH]ccc4c5ccccc5nc3-4)[C@@H]3CCN(CCCC/C=C\CC1)C[C@@]31C[C@@H]3/C=C\CCCCN3[C@H]12
Basic Information
| ChEMBL ID | CHEMBL326531 |
| Name | MANZAMINE |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FLPJQQDDZSHBDC-MKYGIPPKSA-N |
2
Targets
2
Activities
2
Assay Types
7
PK Parameters
8
Publications
0
Known Names
Molecular Properties
548.8
MW (Da)
6.81
ALogP
4
HBA
2
HBD
55.4
PSA (Ų)
0.33
QED
2
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 5.38
IC50 1 meas. best 5.08
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus 1 CHEMBL378 | EC50 | 5.38 | 5.38 | 4200.0 | 1 |
| Glycogen synthase kinase-3 beta CHEMBL262 | IC50 | 5.08 | 5.08 | 8400.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| AUC | 20.6 | % | Rattus norvegicus |
| CL | 5.1 | mL.min-1.kg-1 | Rattus norvegicus |
| Cmax | 1942.49 | nM | Rattus norvegicus |
| F | 20.6 | % | Rattus norvegicus |
| T1/2 | 53.7 | hr | Rattus norvegicus |
| Tmax | 10.0 | hr | Rattus norvegicus |
| Vd | 23.7 | L.kg-1 | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human immunodeficiency virus 1 | EC50 | = | 4200.0 | nM | 5.38 | Effective concentration against HIV-1 | 15214779 |
| Glycogen synthase kinase-3 beta | IC50 | = | 8400.0 | nM | 5.08 | Inhibition of recombinant GSK3-beta Z'-LYTE kinase assay kit method | 21082766 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15214779 | 10.1021/jm030475b | Rattus norvegicus | 7 |
| 15214779 | 10.1021/jm030475b | Staphylococcus aureus | 4 |
| 15214779 | 10.1021/jm030475b | Mycobacterium intracellulare | 2 |
| 21082766 | 10.1021/jm100941j | Glycogen synthase kinase-3 beta | 2 |
| 15214779 | 10.1021/jm030475b | Cryptococcus neoformans | 1 |
| 15214779 | 10.1021/jm030475b | Human immunodeficiency virus 1 | 1 |
| 15214779 | 10.1021/jm030475b | No relevant target | 1 |
| 21082766 | 10.1021/jm100941j | Cyclin-dependent kinase 2 | 1 |
Data from ChEMBL 36 via Core Engine